SCHEMBL4445650

SCHEMBL4445650

O=C(O)[C@H]1CNC[C@@H]1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.43
SLC1A2 P43004 2/20 0.40
TSHR P16473 3/20 0.39
PMP22 Q01453 2/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13221050 1.00 GABRR1 (0.43) GABRR1SLC1A2TSHRPMP22GABRP
SCHEMBL2811192 1.00 GABRR1 (0.43) GABRR1SLC1A2TSHRPMP22GABRP
SCHEMBL22160590 1.00 GABRR1 (0.43) GABRR1SLC1A2TSHRPMP22GABRP
SCHEMBL6335676 1.00 GABRR1 (0.43) GABRR1SLC1A2TSHRPMP22GABRP
SCHEMBL21402232 0.97 GABRR1 (0.41) GABRR1SLC1A2TSHRPMP22GABRP
SCHEMBL17743462 0.97 GABRR1 (0.41) GABRR1SLC1A2TSHRPMP22GABRP
SCHEMBL29951639 0.87 HPSE (0.37) GABRR1SLC1A2TSHRMC4RLMNA
SCHEMBL11889143 0.85 SLC1A2 (0.38) GABRR1SLC1A2TSHRPMP22GABRP
SCHEMBL3196556 0.83
SCHEMBL10179391 0.83

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165970-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS CIDARA THERAPEUTICS, INC. 2023-06-01 US disclosed
US-11260379-B2 Catalysts and methods for epoxide-based polymerizations CORNELL UNIVERSITY (US) 2022-03-01 US disclosed
CN-109641878-B DIPROVOCIM: effective TLR agonist 斯克里普斯研究学院 2021-09-14 CN disclosed
US-11040959-B2 Diprovocims: a new and potent class of TLR agonists THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-22 US disclosed
US-20200384450-A1 CATALYSTS AND METHODS FOR EPOXIDE-BASED POLYMERIZATIONS CORNELL UNIVERSITY 2020-12-10 US disclosed
EP-3445758-B1 DIPROVOCIMS: A NEW AND POTENT CLASS OF TLR AGONISTS SCRIPPS RESEARCH INST (US) 2020-11-04 EP disclosed
US-20200207742-A1 DIPROVOCIMS: A NEW AND POTENT CLASS OF TLR AGONISTS THE SCRIPPS RESEARCH INSTITUTE 2020-07-02 US disclosed
US-7550487-B2 Pyrrolidine-3,4-dicarboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-06-23 US disclosed
EP-1732918-B1 NOVEL PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-11-12 EP disclosed
EP-1732918-A1 NOVEL PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-12-20 EP disclosed
WO-2005092881-A1 NOVEL PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-10-06 WO disclosed
US-20050215599-A1 Pyrrolidine-3,4-dicarboxamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-09-29 US disclosed
US-6858626-B2 Enzyme inhibitor; antiinflammatory agents; osteoporosis BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-02-22 US disclosed
US-20030139597-A1 Novel Cyclic hydroxamic acid as metalloproteinase inhibitors XUE CHU-BIAO (US) 2003-07-24 US disclosed
US-6429213-B1 ANTIINFLAMMATORY AGENTS, ANTIARTHRITIS AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050215599-A1 Pyrrolidine-3,4-dicarboxamide derivatives F9, F2, F12 GABRR1 2352/4885SLC1A2 2466/4885TSHR 1530/4885
US-20200207742-A1 DIPROVOCIMS: A NEW AND POTENT CLASS OF TLR AGONISTS TLR1, TLR4, TLR2 GABRR1 1922/4885SLC1A2 4428/4885TSHR 929/4885
US-20030139597-A1 Novel Cyclic hydroxamic acid as metalloproteinase inhibitors MMP9, MMP2, MMP25 GABRR1 1693/4885SLC1A2 649/4885TSHR 3243/4885
US-20230165970-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS FCGR3B, FCGR1A, FCGR2A GABRR1 1460/4885SLC1A2 4771/4885TSHR 2359/4885
US-11040959-B2 Diprovocims: a new and potent class of TLR agonists TLR1, TLR4, TLR2 GABRR1 1987/4885SLC1A2 4450/4885TSHR 1009/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.